MCULE-8471857466
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 23 USD | N/A | 9 working days | Get Quote |
5 mg | 30 USD | 95 | 7 working days | Get Quote |
10 mg | 47 USD | 95 | 7 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
Name | File |
---|---|
SDF | MCULE-8471857466.sdf |
SMILES | MCULE-8471857466.smiles |
Standard InChI | MCULE-8471857466.inchi |
InChIKey | MCULE-8471857466.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867677203 | 98 | As is | in stock |
P-875853916 | N/A | As is | in stock |
P-505394024 | 95 | As is | in stock |
P-615725905 | 98 | As is | in stock |
P-903293629 | 98 | As is | 95 g |
P-606887786 | N/A | As is | in stock |
P-489176599 | 97 | As is | in stock |
P-596974350 | 98 | As is | 20 mg |
P-580193351 | 98 | As is | in stock |
P-889559940 | 98 | As is | in stock |
P-580709806 | 98 | As is | 104 mg |
P-893219175 | 95 | As is | in stock |
P-881633972 | 98 | As is | in stock |
P-851249662 | 95 | As is | by synthesis |
P-860797622 | 98 | As is | in stock |
P-861364878 | 95 | As is | by synthesis |
P-579479061 | 95 | As is | in stock |
P-580401559 | 95 | As is | by resynthesis (? - ? days) |
P-505543501 | 95 | As is | in stock |
P-524166305 | 95 | As is | 50 mg |
P-608098167 | 95 | As is | 500 mg |
P-860794661 | N/A | As is | by synthesis |
P-852503580 | N/A | As is | in stock |
P-854712413 | 95 | As is | in stock |
P-885534789 | 95 | As is | by synthesis |
P-579709888 | N/A | As is | in stock |
P-869161878 | 95 | As is | by synthesis |
P-892296741 | 95 | As is | unavailable |
P-888657263 | 95 | As is | 41 mg |
P-611491723 | 90 | As is | in stock |
P-480878195 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 377.350 |
logP | 3.2131 |
H-bond acceptors | 7 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 73.79 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 98.004 |
Atoms | 41 |
Rings | 5 |
Heavy atoms | 28 |
Hydrogen atoms | 13 |
Heteroatoms | 9 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |